2,2-bis[(2-methyl-3-octylsulfanyl-propanoyl)oxymethyl]butyl 2-methyl-3-octylsulfanyl-propanoate

Systemtic Name: 2,2-bis[(2-methyl-3-octylsulfanyl-propanoyl)oxymethyl]butyl 2-methyl-3-octylsulfanyl-propanoate Openeye Name: 2,2-bis[(2-methyl-3-octylsulfanyl-propanoyl)oxymethyl]butyl 2-methyl-3-octylsulfanyl-propanoate CAS Name: 2-methyl-3-(octylthio)propanoic acid 2,2-bis[[2-methyl-3-(octylthio)-1-oxopropoxy]methyl]butyl ester IUPAC Name: 2,2-bis[(2-methyl-3-octylsulfanylpropanoyl)oxymethyl]butyl 2-methyl-3-octylsulfanylpropanoate Traditional Name: 2-methyl-3-(octylthio)propionic acid 2,2-bis[[2-methyl-3-(octylthio)propanoyl]oxymethyl]butyl ester Formula: C42H80O6S3 MolecularWeight: 777.276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSCC(C)C(=O)OCC(CC)(COC(=O)C(C)CSCCCCCCCC)COC(=O)C(C)CSCCCCCCCC

Isomeric SMILES

CCCCCCCCSCC(C)C(=O)OCC(CC)(COC(=O)C(C)CSCCCCCCCC)COC(=O)C(C)CSCCCCCCCC

InChI

InChI=1S/C42H80O6S3/c1-8-12-15-18-21-24-27-49-30-36(5)39(43)46-33-42(11-4,34-47-40(44)37(6)31-50-28-25-22-19-16-13-9-2)35-48-41(45)38(7)32-51-29-26-23-20-17-14-10-3/h36-38H,8-35H2,1-7H3